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1. New file dfa.F 2. Changes in energy, initialize add readrtns for DFA_MD
[unres.git] / source /
2012-11-17 Bartlomiej Zaborowski1. New file dfa.F 2. Changes in energy, initialize... tree | commitdiff
2012-11-17 Bartlomiej ZaborowskiCreated and changes in COMMON files for MD_DFA tree | commitdiff
2012-11-17 Bartlomiej ZaborowskiIntroduction to UNRES_MD_DFA (prepaired required fiels) tree | commitdiff
2012-11-08 Bartlomiej ZaborowskiMerge branch 'bartek' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2012-11-07 Bartlomiej ZaborowskiChanges in gen_rand_conf, add prng.F - now DiL works tree | commitdiff
2012-10-30 Bartlomiej Zaborowski1. New organization of examples for 4P,GAB,E0LL2Y force... tree | commitdiff
2012-10-17 Bartlomiej ZaborowskiFixed energy compare to MD tree | commitdiff
2012-10-10 Bartlomiej ZaborowskiBack to preavious changes (without SCCOR) tree | commitdiff
2012-10-10 Bartlomiej ZaborowskiMerge branch 'devel' into bartek. Fixed conflicts in... tree | commitdiff
2012-10-09 Bartlomiej Zaborowski1. Fixed merge conflicts tree | commitdiff
2012-10-09 Bartlomiej Zaborowski1. Added new files to PARAM tree | commitdiff
2012-10-06 Bartlomiej ZaborowskiSmall changes in source src_CSA_DiL. Compilation works now tree | commitdiff
2012-10-03 Bartlomiej ZaborowskiFixed Cmake variable tree | commitdiff
2012-10-03 Bartlomiej Zaborowski1. Fixed merge conflicts tree | commitdiff
2012-10-02 Bartlomiej ZaborowskiMerge branch 'bartek' into devel tree | commitdiff
2012-10-02 Bartlomiej ZaborowskiMerge branch 'bartek2' into bartek tree | commitdiff
2012-10-02 Bartlomiej Zaborowskizmiana do DiL tree | commitdiff
2012-10-02 Bartlomiej ZaborowskiRozgrzebany DIL tree | commitdiff
2012-10-02 Bartlomiej ZaborowskiD i L aminokwasy dzialajace dla src_CSA tree | commitdiff
2012-09-26 Bartlomiej Zaborowski"DiL zmiana w param read i tuz przed testami" tree | commitdiff
2012-09-26 Bartlomiej Zaborowski"Przygotowanie CSA do D i L aminokwasow" tree | commitdiff
2012-08-20 Dawid Jagielaadded CMake build file for source/maxlik/src_CSA/ tree | commitdiff
2012-08-20 Dawid Jagiela1. cmake cinfo.f generation for all sources 2. deleted... tree | commitdiff
2012-08-08 Bartlomiej ZaborowskiMaximum likelihood parameters optimization program... tree | commitdiff
2012-08-08 Bartlomiej ZaborowskiCASP3 force field deleted. Fixed merge conflicts. tree | commitdiff
2012-08-08 Bartlomiej ZaborowskiOld force fields removed, new ones (GAB, E0LL2Y) added. tree | commitdiff
2012-07-31 Adam Kazimierz Sie... poprawka clustrowania z potencjalami wsccor (zle czytan... tree | commitdiff
2012-07-30 Adam Kazimierz Sie... Merge branch 'devel' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2012-07-30 Adam Kazimierz Sie... poprawka w cluster dla potencjalow shelleya tree | commitdiff
2012-07-19 Dawid JagielaMerge branch 'devel' of mmka:unres into devel tree | commitdiff
2012-07-19 Dawid Jagielacinfo.f generation and macro for unres MD tree | commitdiff
2012-07-18 Adam Kazimierz Sie... modified Makefile tree | commitdiff
2012-07-18 Adam Kazimierz Sie... hotfix parmread tree | commitdiff
2012-07-18 Adam Kazimierz Sie... Revert "Merge branch 'adasko' into devel" tree | commitdiff
2012-07-18 Adam Kazimierz Sie... Revert "poprawka przy liczeniu tau w clustrze" tree | commitdiff
2012-07-17 Adam Kazimierz Sie... Merge branch 'adasko' into devel tree | commitdiff
2012-07-17 Adam Kazimierz Sie... D i L aminokwasy dzialajace dla src_MD tree | commitdiff
2012-07-09 Adam Kazimierz Sie... D i L aminokwasy tuz przed testami tree | commitdiff
2012-07-06 Adam Kazimierz Sie... poprawki makefile ktore i tak zostan zmienione tree | commitdiff
2012-07-06 Adam Kazimierz Sie... wyrowanie COMMON>SCCOR tree | commitdiff
2012-07-06 Adam Kazimierz Sie... Wyrowanie w COmmonie... tree | commitdiff
2012-07-06 Adam Kazimierz Sie... poprawka przy liczeniu tau w clustrze tree | commitdiff
2012-07-06 Adam Kazimierz Sie... proba pullowania tree | commitdiff
2012-07-06 Adam Kazimierz Sie... Zabijanie robakow znalezionych przez Pawla w WHAMie tree | commitdiff
2012-07-06 Adam Kazimierz Sie... zmiana do DiL tree | commitdiff
2012-07-05 Adam LiwoMerge branch 'adam' into devel tree | commitdiff
2012-07-05 Adam LiwoMinor change tree | commitdiff
2012-07-05 Adam LiwoMinor change tree | commitdiff
2012-07-05 Adam Kazimierz Sie... zmiana binarki... tree | commitdiff
2012-07-05 Adam LiwoMerge branch 'adam' into devel tree | commitdiff
2012-07-05 Adam Liwo5/7/2012 by Adam tree | commitdiff
2012-07-05 Adam Kazimierz Sie... DIL zmiana w param read tree | commitdiff
2012-07-05 Adam Kazimierz Sie... hotfix of SCCOR potentials tree | commitdiff
2012-07-05 Adam Kazimierz Sie... Merge branch 'devel' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2012-07-05 Adam Kazimierz Sie... hotfix do potencjalow AM1 tree | commitdiff
2012-07-05 Adam Kazimierz Sie... Rozgrzebany DIL tree | commitdiff
2012-06-27 Dawid Jagiela1) added ctests for xdrf2pdb-m 2) cleanup tree | commitdiff
2012-06-27 Dawid Jagielafixed broken (by adasko) alignment in COMMON.SCCOR tree | commitdiff
2012-06-27 Adam Kazimierz Sie... Merge branch 'adasko' into devel tree | commitdiff
2012-06-27 Adam Kazimierz Sie... glupia zmiana tree | commitdiff
2012-06-27 Adam Kazimierz Sie... Wprowadzenie SCCOR do WHAMa i CLUSTROWNIA tree | commitdiff
2012-06-20 Dawid JagielaLAM/MPI boot ctest modification tree | commitdiff
2012-06-19 Dawid Jagielaadded -cpp flag to force preprocesing for all files... tree | commitdiff
2012-06-19 Dawid JagielaMoved ifdef MOMENT part from COMMON.CONTACTS to COMMON... tree | commitdiff
2012-06-18 Dawid Jagielaenable compiler preprocesor flags for non-standard... tree | commitdiff
2012-06-18 Dawid Jagielaadded source/cluster/wham/src/gnmr1.f to cmake build tree | commitdiff
2012-06-18 Dawid Jagielaadded gnmr1.f to sources in cmake builds tree | commitdiff
2012-06-18 Dawid Jagielafixed merge conflict in readrtns_csa.F tree | commitdiff
2012-06-18 Dawid Jagielafixed source/xdrfpdb/src-M/xdrf2pdb-m.F tree | commitdiff
2012-06-18 Dawid Jagielafixed merge renamed source file: newconf.f is now newconf.F tree | commitdiff
2012-06-18 Dawid Jagielaresolving merge conflicts tree | commitdiff
2012-06-18 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2012-06-18 Adam LiwoMerge branch 'adam' into devel tree | commitdiff
2012-06-18 Dawid Jagielafixed indent for gfortran build in source/unres/src_MD... tree | commitdiff
2012-06-18 Dawid JagielaMerge branch 'devel' of mmka:unres into devel tree | commitdiff
2012-06-18 Dawid Jagielaremoved MPI form CMakeLists.txt in xdrfpdb tree | commitdiff
2012-06-18 Adam Kazimierz Sie... Merge branch 'adasko' into devel tree | commitdiff
2012-06-18 Adam Kazimierz Sie... zmiany po usunieciu diagnostyki... tree | commitdiff
2012-06-15 Adam Liwo6/15/2012 by Adam tree | commitdiff
2012-06-15 Adam Kazimierz Sie... dzialajacy grad check.... tree | commitdiff
2012-06-14 Adam Liwo6/14/12 by Adam: unnecessary files deleted tree | commitdiff
2012-06-14 Adam Liwo6/14/12 by Adam - changes committed tree | commitdiff
2012-06-14 Adam Liwo6/14/2012 by Adam tree | commitdiff
2012-06-14 Adam Kazimierz Sie... Dzialajacy INTERTYP=1 i INTERTYP=2 tree | commitdiff
2012-06-11 Adam Liwo6/11/2012 by Adam tree | commitdiff
2012-06-11 Adam Liwo6/11/2012 by Adam tree | commitdiff
2012-06-11 Dawid Jagielafixed iblnk in xdrf2ang tree | commitdiff
2012-06-11 Dawid Jagielaadded ctests for xdrf2ang tree | commitdiff
2012-06-11 Dawid Jagielafix of malloc in xdrf2pdb-m tree | commitdiff
2012-06-11 Dawid Jagielafix of xdrf2ang tree | commitdiff
2012-06-11 Cezary CzaplewskiDFA is switched off by default tree | commitdiff
2012-06-11 Adam Liwo6/11/2012 Changes of the CSA version tree | commitdiff
2012-06-11 Adam Liwo6/11/2012 Update of the CSA version tree | commitdiff
2012-06-08 Dawid Jagielaadded ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing tree | commitdiff
2012-06-05 Dawid Jagielaxdrf2pdb programs doesn't require MPI so MPI-flags... tree | commitdiff
2012-06-05 Dawid Jagielaadded ctests for xdrf2pdb (one & three letter sequence ) tree | commitdiff
2012-06-05 Dawid JagielaUNRES single MD for MPI ctest file permissions fix tree | commitdiff
2012-06-05 Adam Kazimierz Sie... UDALO SIE TERAZ DEBUG tree | commitdiff
2012-06-05 Dawid Jagielaadded MPI ctest for unres single MD tree | commitdiff
2012-05-29 Adam Kazimierz Sie... kolejna tree | commitdiff
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